(1R)-2-Methylcyclohex-2-en-1-ol

CAS Number: 6610-16-8
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CC1=CCCC[C@H]1O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H12O
Molecular Weight
112.171
Drug-likeness
-3.2029
CAS
6610-16-8
InChI key
LONAYYKXZPCZNH-SSDOTTSWSA-N
SMILES
CC1=CCCC[C@H]1O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6610-16-8
Molecule Name (1R)-2-Methylcyclohex-2-en-1-ol
Molecular Formula C7H12O
SMILES CC1=CCCC[C@H]1O
InChI InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h4,7-8H,2-3,5H2,1H3/t7-/m1/s1
InChI Key LONAYYKXZPCZNH-SSDOTTSWSA-N
CanonicalSyTyLFy e1bd4d8a17c8c538
TotalMolweight 112.171
Molecular Weight 112.171
MonoisotopicMass 112.088815
CLogP 1.3647
CLogS -1.647
H Acceptors 1
H Donors 1
TotalSurfaceArea 97.1
Relative PSA 0.13491
PolarSurfaceArea 20.23
Drug-likeness -3.2029
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecula Flexibility 0.19576
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rings Closures 1
Small Rings 1
Sp3Atoms 6
StereoCon this enantiomer

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